USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 THR OG1 : rot 180:sc= 0.561 USER MOD Set 1.2: A 94 THR OG1 : rot -67:sc= 0.618 USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 68 SER OG : rot 180:sc= 0.00718 USER MOD Set 3.2: A 71 THR OG1 : rot 61:sc= 1.06 USER MOD Single : A 13 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.0061) USER MOD Single : A 17 SER OG : rot 180:sc= -0.276 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.202 USER MOD Single : A 50 SER OG : rot -23:sc= 0.0449 USER MOD Single : A 52 GLN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0672 USER MOD Single : A 58 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.36) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 147:sc= -0.447 (180deg=-1.52!) USER MOD Single : A 69 SER OG : rot 160:sc= 0 USER MOD Single : A 70 SER OG : rot -44:sc= 0.897 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.188 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 30:sc= 0 USER MOD Single : A 87 SER OG : rot -133:sc= -0.359 USER MOD Single : A 90 THR OG1 : rot 30:sc= 0.156 USER MOD Single : A 95 THR OG1 : rot -170:sc= 1.05 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 11 -7.414 -12.258 -6.837 1.00 0.00 N ATOM 110 CA PRO A 11 -8.786 -11.745 -6.888 1.00 0.00 C ATOM 111 C PRO A 11 -8.896 -10.466 -7.711 1.00 0.00 C ATOM 112 O PRO A 11 -9.812 -10.314 -8.520 1.00 0.00 O ATOM 113 CB PRO A 11 -9.116 -11.466 -5.420 1.00 0.00 C ATOM 114 CG PRO A 11 -7.794 -11.234 -4.772 1.00 0.00 C ATOM 115 CD PRO A 11 -6.817 -12.117 -5.498 1.00 0.00 C ATOM 0 HA PRO A 11 -9.467 -12.450 -7.365 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.765 -10.596 -5.318 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.638 -12.308 -4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.502 -10.186 -4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.830 -11.482 -3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.826 -11.666 -5.545 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.704 -13.082 -5.005 1.00 0.00 H new ATOM 123 N ARG A 12 -7.958 -9.549 -7.500 1.00 0.00 N ATOM 124 CA ARG A 12 -7.950 -8.283 -8.222 1.00 0.00 C ATOM 125 C ARG A 12 -6.525 -7.772 -8.409 1.00 0.00 C ATOM 126 O ARG A 12 -5.565 -8.401 -7.962 1.00 0.00 O ATOM 127 CB ARG A 12 -8.784 -7.240 -7.475 1.00 0.00 C ATOM 128 CG ARG A 12 -10.252 -7.611 -7.349 1.00 0.00 C ATOM 129 CD ARG A 12 -10.981 -7.459 -8.676 1.00 0.00 C ATOM 130 NE ARG A 12 -12.318 -8.045 -8.636 1.00 0.00 N ATOM 131 CZ ARG A 12 -13.069 -8.234 -9.715 1.00 0.00 C ATOM 132 NH1 ARG A 12 -12.617 -7.885 -10.911 1.00 0.00 N ATOM 133 NH2 ARG A 12 -14.276 -8.774 -9.598 1.00 0.00 N ATOM 0 H ARG A 12 -7.193 -9.659 -6.834 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.388 -8.452 -9.206 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.367 -7.100 -6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.703 -6.284 -7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.340 -8.640 -7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.725 -6.978 -6.598 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.056 -6.402 -8.929 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.400 -7.935 -9.466 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.695 -8.324 -7.730 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.690 -7.470 -11.005 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.196 -8.031 -11.738 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.627 -9.044 -8.679 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.852 -8.919 -10.427 1.00 0.00 H new ATOM 147 N HIS A 13 -6.394 -6.627 -9.072 1.00 0.00 N ATOM 148 CA HIS A 13 -5.085 -6.031 -9.318 1.00 0.00 C ATOM 149 C HIS A 13 -4.957 -4.689 -8.603 1.00 0.00 C ATOM 150 O HIS A 13 -5.927 -3.939 -8.489 1.00 0.00 O ATOM 151 CB HIS A 13 -4.860 -5.846 -10.818 1.00 0.00 C ATOM 152 CG HIS A 13 -3.478 -5.382 -11.164 1.00 0.00 C ATOM 153 ND1 HIS A 13 -3.206 -4.563 -12.239 1.00 0.00 N ATOM 154 CD2 HIS A 13 -2.287 -5.626 -10.567 1.00 0.00 C ATOM 155 CE1 HIS A 13 -1.907 -4.324 -12.290 1.00 0.00 C ATOM 156 NE2 HIS A 13 -1.327 -4.957 -11.287 1.00 0.00 N ATOM 0 H HIS A 13 -7.178 -6.094 -9.448 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.325 -6.707 -8.925 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.055 -6.791 -11.325 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.583 -5.124 -11.199 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.123 -6.233 -9.689 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -1.405 -3.714 -13.027 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -0.328 -4.950 -11.080 1.00 0.00 H new ATOM 165 N LEU A 14 -3.754 -4.394 -8.122 1.00 0.00 N ATOM 166 CA LEU A 14 -3.498 -3.142 -7.417 1.00 0.00 C ATOM 167 C LEU A 14 -3.124 -2.033 -8.395 1.00 0.00 C ATOM 168 O LEU A 14 -2.728 -2.299 -9.529 1.00 0.00 O ATOM 169 CB LEU A 14 -2.380 -3.332 -6.390 1.00 0.00 C ATOM 170 CG LEU A 14 -2.810 -3.850 -5.018 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.596 -4.252 -4.195 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.630 -2.798 -4.283 1.00 0.00 C ATOM 0 H LEU A 14 -2.941 -5.004 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.412 -2.851 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.647 -4.025 -6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.874 -2.377 -6.253 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.434 -4.732 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.922 -4.618 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.049 -5.039 -4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.946 -3.387 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.927 -3.184 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.030 -1.898 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.520 -2.558 -4.865 1.00 0.00 H new ATOM 184 N GLY A 15 -3.251 -0.788 -7.946 1.00 0.00 N ATOM 185 CA GLY A 15 -2.920 0.343 -8.793 1.00 0.00 C ATOM 186 C GLY A 15 -2.383 1.521 -8.004 1.00 0.00 C ATOM 187 O GLY A 15 -2.895 1.846 -6.933 1.00 0.00 O ATOM 0 H GLY A 15 -3.577 -0.543 -7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.179 0.036 -9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.808 0.653 -9.343 1.00 0.00 H new ATOM 191 N PHE A 16 -1.345 2.161 -8.533 1.00 0.00 N ATOM 192 CA PHE A 16 -0.736 3.308 -7.870 1.00 0.00 C ATOM 193 C PHE A 16 -0.868 4.565 -8.725 1.00 0.00 C ATOM 194 O PHE A 16 -0.433 4.594 -9.876 1.00 0.00 O ATOM 195 CB PHE A 16 0.740 3.030 -7.577 1.00 0.00 C ATOM 196 CG PHE A 16 0.960 1.853 -6.671 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.706 1.950 -5.312 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.421 0.648 -7.177 1.00 0.00 C ATOM 199 CE1 PHE A 16 0.907 0.869 -4.475 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.623 -0.437 -6.345 1.00 0.00 C ATOM 201 CZ PHE A 16 1.367 -0.326 -4.993 1.00 0.00 C ATOM 0 H PHE A 16 -0.908 1.905 -9.418 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.262 3.473 -6.930 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.262 2.857 -8.518 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.185 3.916 -7.124 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.346 2.882 -4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.625 0.556 -8.234 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.705 0.958 -3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.981 -1.371 -6.752 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.526 -1.172 -4.341 1.00 0.00 H new ATOM 211 N SER A 17 -1.473 5.601 -8.154 1.00 0.00 N ATOM 212 CA SER A 17 -1.668 6.860 -8.864 1.00 0.00 C ATOM 213 C SER A 17 -1.250 8.043 -7.997 1.00 0.00 C ATOM 214 O SER A 17 -0.931 7.882 -6.819 1.00 0.00 O ATOM 215 CB SER A 17 -3.131 7.012 -9.284 1.00 0.00 C ATOM 216 OG SER A 17 -3.327 8.201 -10.029 1.00 0.00 O ATOM 0 H SER A 17 -1.837 5.594 -7.201 1.00 0.00 H new ATOM 0 HA SER A 17 -1.041 6.846 -9.756 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.432 6.151 -9.881 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.767 7.025 -8.399 1.00 0.00 H new ATOM 0 HG SER A 17 -4.270 8.274 -10.287 1.00 0.00 H new ATOM 222 N ASP A 18 -1.254 9.232 -8.589 1.00 0.00 N ATOM 223 CA ASP A 18 -0.876 10.445 -7.872 1.00 0.00 C ATOM 224 C ASP A 18 0.289 10.175 -6.925 1.00 0.00 C ATOM 225 O ASP A 18 0.344 10.718 -5.821 1.00 0.00 O ATOM 226 CB ASP A 18 -2.070 10.993 -7.090 1.00 0.00 C ATOM 227 CG ASP A 18 -3.144 11.562 -7.996 1.00 0.00 C ATOM 228 OD1 ASP A 18 -2.791 12.259 -8.970 1.00 0.00 O ATOM 229 OD2 ASP A 18 -4.338 11.309 -7.731 1.00 0.00 O ATOM 0 H ASP A 18 -1.515 9.382 -9.564 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.560 11.188 -8.604 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.497 10.197 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.727 11.769 -6.406 1.00 0.00 H new ATOM 234 N VAL A 19 1.218 9.331 -7.362 1.00 0.00 N ATOM 235 CA VAL A 19 2.382 8.988 -6.553 1.00 0.00 C ATOM 236 C VAL A 19 3.315 10.184 -6.400 1.00 0.00 C ATOM 237 O VAL A 19 3.604 10.887 -7.368 1.00 0.00 O ATOM 238 CB VAL A 19 3.166 7.814 -7.167 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.413 7.518 -6.348 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.282 6.580 -7.272 1.00 0.00 C ATOM 0 H VAL A 19 1.187 8.872 -8.272 1.00 0.00 H new ATOM 0 HA VAL A 19 2.010 8.692 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 19 3.479 8.095 -8.172 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.954 6.685 -6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.054 8.400 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.126 7.257 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.852 5.760 -7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.937 6.294 -6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.422 6.801 -7.905 1.00 0.00 H new ATOM 250 N SER A 20 3.785 10.408 -5.177 1.00 0.00 N ATOM 251 CA SER A 20 4.684 11.521 -4.896 1.00 0.00 C ATOM 252 C SER A 20 6.001 11.020 -4.311 1.00 0.00 C ATOM 253 O SER A 20 6.208 9.816 -4.157 1.00 0.00 O ATOM 254 CB SER A 20 4.025 12.505 -3.927 1.00 0.00 C ATOM 255 OG SER A 20 2.823 13.025 -4.469 1.00 0.00 O ATOM 0 H SER A 20 3.558 9.834 -4.365 1.00 0.00 H new ATOM 0 HA SER A 20 4.894 12.033 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.815 12.004 -2.982 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.713 13.322 -3.709 1.00 0.00 H new ATOM 0 HG SER A 20 2.420 13.650 -3.831 1.00 0.00 H new ATOM 261 N HIS A 21 6.891 11.954 -3.987 1.00 0.00 N ATOM 262 CA HIS A 21 8.189 11.609 -3.418 1.00 0.00 C ATOM 263 C HIS A 21 8.071 11.333 -1.923 1.00 0.00 C ATOM 264 O HIS A 21 8.921 10.663 -1.336 1.00 0.00 O ATOM 265 CB HIS A 21 9.192 12.737 -3.663 1.00 0.00 C ATOM 266 CG HIS A 21 8.735 14.067 -3.147 1.00 0.00 C ATOM 267 ND1 HIS A 21 7.991 14.951 -3.900 1.00 0.00 N ATOM 268 CD2 HIS A 21 8.920 14.661 -1.945 1.00 0.00 C ATOM 269 CE1 HIS A 21 7.740 16.032 -3.184 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.292 15.881 -1.994 1.00 0.00 N ATOM 0 H HIS A 21 6.737 12.955 -4.109 1.00 0.00 H new ATOM 0 HA HIS A 21 8.545 10.703 -3.909 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.139 12.479 -3.190 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.382 12.817 -4.733 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.461 14.252 -1.104 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.179 16.893 -3.515 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.257 16.561 -1.234 1.00 0.00 H new ATOM 279 N ASP A 22 7.012 11.853 -1.312 1.00 0.00 N ATOM 280 CA ASP A 22 6.783 11.662 0.116 1.00 0.00 C ATOM 281 C ASP A 22 5.393 11.086 0.371 1.00 0.00 C ATOM 282 O ASP A 22 4.858 11.196 1.473 1.00 0.00 O ATOM 283 CB ASP A 22 6.944 12.987 0.862 1.00 0.00 C ATOM 284 CG ASP A 22 6.109 14.098 0.257 1.00 0.00 C ATOM 285 OD1 ASP A 22 5.031 13.795 -0.296 1.00 0.00 O ATOM 286 OD2 ASP A 22 6.533 15.270 0.335 1.00 0.00 O ATOM 0 H ASP A 22 6.299 12.410 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 22 7.524 10.954 0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.660 12.850 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.994 13.280 0.854 1.00 0.00 H new ATOM 291 N ALA A 23 4.814 10.475 -0.657 1.00 0.00 N ATOM 292 CA ALA A 23 3.487 9.881 -0.545 1.00 0.00 C ATOM 293 C ALA A 23 3.172 9.006 -1.753 1.00 0.00 C ATOM 294 O ALA A 23 3.853 9.077 -2.776 1.00 0.00 O ATOM 295 CB ALA A 23 2.434 10.969 -0.389 1.00 0.00 C ATOM 0 H ALA A 23 5.243 10.378 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 23 3.474 9.247 0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.448 10.512 -0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.641 11.550 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.458 11.626 -1.259 1.00 0.00 H new ATOM 301 N ALA A 24 2.138 8.182 -1.627 1.00 0.00 N ATOM 302 CA ALA A 24 1.733 7.294 -2.710 1.00 0.00 C ATOM 303 C ALA A 24 0.336 6.733 -2.466 1.00 0.00 C ATOM 304 O ALA A 24 0.066 6.150 -1.416 1.00 0.00 O ATOM 305 CB ALA A 24 2.738 6.162 -2.869 1.00 0.00 C ATOM 0 H ALA A 24 1.565 8.110 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 24 1.708 7.874 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.423 5.507 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.720 6.577 -3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.792 5.591 -1.942 1.00 0.00 H new ATOM 311 N ARG A 25 -0.548 6.913 -3.442 1.00 0.00 N ATOM 312 CA ARG A 25 -1.918 6.426 -3.332 1.00 0.00 C ATOM 313 C ARG A 25 -2.033 5.001 -3.866 1.00 0.00 C ATOM 314 O ARG A 25 -1.749 4.740 -5.036 1.00 0.00 O ATOM 315 CB ARG A 25 -2.872 7.346 -4.095 1.00 0.00 C ATOM 316 CG ARG A 25 -4.337 6.980 -3.926 1.00 0.00 C ATOM 317 CD ARG A 25 -5.247 8.149 -4.271 1.00 0.00 C ATOM 318 NE ARG A 25 -5.282 8.409 -5.708 1.00 0.00 N ATOM 319 CZ ARG A 25 -6.155 9.226 -6.286 1.00 0.00 C ATOM 320 NH1 ARG A 25 -7.060 9.861 -5.553 1.00 0.00 N ATOM 321 NH2 ARG A 25 -6.123 9.411 -7.599 1.00 0.00 N ATOM 0 H ARG A 25 -0.340 7.393 -4.318 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.192 6.424 -2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.721 8.372 -3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.619 7.319 -5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.577 6.130 -4.565 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.519 6.667 -2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.256 7.940 -3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.904 9.042 -3.749 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.598 7.937 -6.300 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.087 9.722 -4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.729 10.488 -6.000 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.428 8.926 -8.166 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.794 10.039 -8.042 1.00 0.00 H new ATOM 335 N VAL A 26 -2.450 4.082 -3.001 1.00 0.00 N ATOM 336 CA VAL A 26 -2.603 2.684 -3.386 1.00 0.00 C ATOM 337 C VAL A 26 -4.068 2.263 -3.356 1.00 0.00 C ATOM 338 O VAL A 26 -4.694 2.229 -2.296 1.00 0.00 O ATOM 339 CB VAL A 26 -1.795 1.755 -2.460 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.264 1.896 -1.020 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.905 0.312 -2.926 1.00 0.00 C ATOM 0 H VAL A 26 -2.688 4.280 -2.029 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.222 2.592 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.746 2.049 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.682 1.232 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.128 2.927 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.319 1.630 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.328 -0.330 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.950 0.004 -2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.515 0.227 -3.940 1.00 0.00 H new ATOM 351 N PHE A 27 -4.610 1.943 -4.526 1.00 0.00 N ATOM 352 CA PHE A 27 -6.003 1.524 -4.635 1.00 0.00 C ATOM 353 C PHE A 27 -6.112 0.181 -5.350 1.00 0.00 C ATOM 354 O PHE A 27 -5.135 -0.319 -5.908 1.00 0.00 O ATOM 355 CB PHE A 27 -6.818 2.581 -5.383 1.00 0.00 C ATOM 356 CG PHE A 27 -6.350 2.813 -6.791 1.00 0.00 C ATOM 357 CD1 PHE A 27 -5.201 3.547 -7.042 1.00 0.00 C ATOM 358 CD2 PHE A 27 -7.059 2.299 -7.865 1.00 0.00 C ATOM 359 CE1 PHE A 27 -4.768 3.762 -8.336 1.00 0.00 C ATOM 360 CE2 PHE A 27 -6.631 2.510 -9.161 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.484 3.244 -9.398 1.00 0.00 C ATOM 0 H PHE A 27 -4.106 1.966 -5.413 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.403 1.413 -3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.864 2.275 -5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.771 3.521 -4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.638 3.956 -6.216 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.957 1.726 -7.686 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.870 4.335 -8.517 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.192 2.102 -9.989 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.148 3.412 -10.411 1.00 0.00 H new ATOM 371 N TRP A 28 -7.307 -0.398 -5.328 1.00 0.00 N ATOM 372 CA TRP A 28 -7.546 -1.684 -5.974 1.00 0.00 C ATOM 373 C TRP A 28 -8.850 -1.664 -6.763 1.00 0.00 C ATOM 374 O TRP A 28 -9.519 -0.634 -6.846 1.00 0.00 O ATOM 375 CB TRP A 28 -7.584 -2.802 -4.931 1.00 0.00 C ATOM 376 CG TRP A 28 -8.211 -2.385 -3.635 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.465 -2.698 -3.193 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.615 -1.576 -2.616 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.683 -2.133 -1.960 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.563 -1.440 -1.583 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.371 -0.955 -2.473 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.306 -0.708 -0.428 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.117 -0.228 -1.326 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.080 -0.110 -0.315 1.00 0.00 C ATOM 0 H TRP A 28 -8.126 0.002 -4.870 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.727 -1.871 -6.668 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.136 -3.649 -5.337 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.567 -3.146 -4.740 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.180 -3.301 -3.733 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.540 -2.216 -1.413 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.621 -1.042 -3.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.048 -0.615 0.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.160 0.258 -1.207 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.850 0.464 0.571 1.00 0.00 H new ATOM 395 N GLU A 29 -9.205 -2.807 -7.341 1.00 0.00 N ATOM 396 CA GLU A 29 -10.430 -2.918 -8.124 1.00 0.00 C ATOM 397 C GLU A 29 -11.573 -3.463 -7.272 1.00 0.00 C ATOM 398 O GLU A 29 -12.592 -3.913 -7.795 1.00 0.00 O ATOM 399 CB GLU A 29 -10.206 -3.824 -9.336 1.00 0.00 C ATOM 400 CG GLU A 29 -9.629 -3.098 -10.540 1.00 0.00 C ATOM 401 CD GLU A 29 -10.695 -2.420 -11.379 1.00 0.00 C ATOM 402 OE1 GLU A 29 -11.604 -1.797 -10.791 1.00 0.00 O ATOM 403 OE2 GLU A 29 -10.621 -2.512 -12.622 1.00 0.00 O ATOM 0 H GLU A 29 -8.662 -3.669 -7.282 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.701 -1.921 -8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.533 -4.634 -9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.155 -4.281 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.911 -2.352 -10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.081 -3.808 -11.160 1.00 0.00 H new ATOM 410 N GLY A 30 -11.395 -3.419 -5.955 1.00 0.00 N ATOM 411 CA GLY A 30 -12.418 -3.912 -5.051 1.00 0.00 C ATOM 412 C GLY A 30 -12.618 -5.410 -5.163 1.00 0.00 C ATOM 413 O GLY A 30 -12.643 -5.959 -6.264 1.00 0.00 O ATOM 0 H GLY A 30 -10.561 -3.051 -5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.145 -3.661 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.360 -3.406 -5.263 1.00 0.00 H new ATOM 417 N ALA A 31 -12.758 -6.074 -4.020 1.00 0.00 N ATOM 418 CA ALA A 31 -12.957 -7.517 -3.995 1.00 0.00 C ATOM 419 C ALA A 31 -14.396 -7.880 -4.345 1.00 0.00 C ATOM 420 O ALA A 31 -15.331 -7.119 -4.097 1.00 0.00 O ATOM 421 CB ALA A 31 -12.586 -8.077 -2.629 1.00 0.00 C ATOM 0 H ALA A 31 -12.737 -5.635 -3.100 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.306 -7.962 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.739 -9.156 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.539 -7.858 -2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.213 -7.618 -1.865 1.00 0.00 H new ATOM 427 N PRO A 32 -14.580 -9.070 -4.935 1.00 0.00 N ATOM 428 CA PRO A 32 -15.903 -9.560 -5.332 1.00 0.00 C ATOM 429 C PRO A 32 -16.776 -9.911 -4.132 1.00 0.00 C ATOM 430 O PRO A 32 -17.937 -10.289 -4.286 1.00 0.00 O ATOM 431 CB PRO A 32 -15.586 -10.816 -6.148 1.00 0.00 C ATOM 432 CG PRO A 32 -14.263 -11.274 -5.640 1.00 0.00 C ATOM 433 CD PRO A 32 -13.511 -10.029 -5.261 1.00 0.00 C ATOM 0 HA PRO A 32 -16.467 -8.808 -5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.350 -11.581 -6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.546 -10.595 -7.215 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.382 -11.934 -4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -13.726 -11.837 -6.403 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.852 -10.201 -4.410 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.887 -9.672 -6.080 1.00 0.00 H new ATOM 441 N ARG A 33 -16.208 -9.783 -2.937 1.00 0.00 N ATOM 442 CA ARG A 33 -16.935 -10.088 -1.710 1.00 0.00 C ATOM 443 C ARG A 33 -16.910 -8.898 -0.754 1.00 0.00 C ATOM 444 O ARG A 33 -16.027 -8.043 -0.811 1.00 0.00 O ATOM 445 CB ARG A 33 -16.332 -11.317 -1.027 1.00 0.00 C ATOM 446 CG ARG A 33 -14.813 -11.304 -0.980 1.00 0.00 C ATOM 447 CD ARG A 33 -14.249 -12.708 -0.827 1.00 0.00 C ATOM 448 NE ARG A 33 -14.054 -13.363 -2.118 1.00 0.00 N ATOM 449 CZ ARG A 33 -13.815 -14.662 -2.254 1.00 0.00 C ATOM 450 NH1 ARG A 33 -13.742 -15.442 -1.184 1.00 0.00 N ATOM 451 NH2 ARG A 33 -13.649 -15.185 -3.463 1.00 0.00 N ATOM 0 H ARG A 33 -15.248 -9.471 -2.792 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.971 -10.299 -1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.718 -11.383 -0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.663 -12.213 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.423 -10.851 -1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.479 -10.684 -0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.298 -12.661 -0.297 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.925 -13.306 -0.216 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.104 -12.791 -2.961 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.870 -15.044 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.558 -16.440 -1.292 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.705 -14.589 -4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.465 -16.183 -3.566 1.00 0.00 H new ATOM 465 N PRO A 34 -17.904 -8.841 0.145 1.00 0.00 N ATOM 466 CA PRO A 34 -18.019 -7.762 1.131 1.00 0.00 C ATOM 467 C PRO A 34 -16.928 -7.829 2.194 1.00 0.00 C ATOM 468 O PRO A 34 -16.474 -8.912 2.565 1.00 0.00 O ATOM 469 CB PRO A 34 -19.394 -8.000 1.759 1.00 0.00 C ATOM 470 CG PRO A 34 -19.650 -9.455 1.570 1.00 0.00 C ATOM 471 CD PRO A 34 -18.991 -9.826 0.270 1.00 0.00 C ATOM 0 HA PRO A 34 -17.909 -6.779 0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.399 -7.731 2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.161 -7.397 1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.237 -10.034 2.396 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.720 -9.662 1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.608 -10.846 0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.688 -9.764 -0.566 1.00 0.00 H new ATOM 479 N VAL A 35 -16.511 -6.665 2.682 1.00 0.00 N ATOM 480 CA VAL A 35 -15.474 -6.592 3.705 1.00 0.00 C ATOM 481 C VAL A 35 -15.896 -5.679 4.851 1.00 0.00 C ATOM 482 O VAL A 35 -16.650 -4.727 4.653 1.00 0.00 O ATOM 483 CB VAL A 35 -14.144 -6.083 3.120 1.00 0.00 C ATOM 484 CG1 VAL A 35 -13.101 -5.930 4.217 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.648 -7.020 2.029 1.00 0.00 C ATOM 0 H VAL A 35 -16.875 -5.760 2.386 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.331 -7.604 4.084 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.315 -5.103 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.168 -5.569 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.456 -5.216 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.930 -6.895 4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.707 -6.645 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.493 -8.015 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.388 -7.073 1.231 1.00 0.00 H new ATOM 495 N ARG A 36 -15.403 -5.976 6.049 1.00 0.00 N ATOM 496 CA ARG A 36 -15.729 -5.183 7.227 1.00 0.00 C ATOM 497 C ARG A 36 -14.607 -4.200 7.548 1.00 0.00 C ATOM 498 O ARG A 36 -14.854 -3.096 8.036 1.00 0.00 O ATOM 499 CB ARG A 36 -15.982 -6.095 8.429 1.00 0.00 C ATOM 500 CG ARG A 36 -14.766 -6.908 8.842 1.00 0.00 C ATOM 501 CD ARG A 36 -14.891 -7.409 10.273 1.00 0.00 C ATOM 502 NE ARG A 36 -15.007 -6.312 11.229 1.00 0.00 N ATOM 503 CZ ARG A 36 -14.928 -6.472 12.545 1.00 0.00 C ATOM 504 NH1 ARG A 36 -14.733 -7.679 13.058 1.00 0.00 N ATOM 505 NH2 ARG A 36 -15.043 -5.424 13.351 1.00 0.00 N ATOM 0 H ARG A 36 -14.776 -6.760 6.229 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.635 -4.616 7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.306 -5.487 9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.800 -6.775 8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.648 -7.756 8.167 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.869 -6.297 8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.765 -8.056 10.356 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.021 -8.016 10.522 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.157 -5.371 10.866 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.643 -8.487 12.442 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.673 -7.800 14.069 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.192 -4.494 12.960 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.982 -5.549 14.362 1.00 0.00 H new ATOM 519 N LEU A 37 -13.373 -4.608 7.272 1.00 0.00 N ATOM 520 CA LEU A 37 -12.212 -3.764 7.531 1.00 0.00 C ATOM 521 C LEU A 37 -11.098 -4.046 6.528 1.00 0.00 C ATOM 522 O LEU A 37 -10.979 -5.159 6.014 1.00 0.00 O ATOM 523 CB LEU A 37 -11.701 -3.989 8.955 1.00 0.00 C ATOM 524 CG LEU A 37 -10.435 -3.224 9.344 1.00 0.00 C ATOM 525 CD1 LEU A 37 -10.733 -1.739 9.488 1.00 0.00 C ATOM 526 CD2 LEU A 37 -9.850 -3.780 10.633 1.00 0.00 C ATOM 0 H LEU A 37 -13.151 -5.518 6.869 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.519 -2.724 7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.494 -3.716 9.651 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.513 -5.054 9.088 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.698 -3.351 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.821 -1.210 9.765 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.105 -1.349 8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.487 -1.593 10.262 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.950 -3.223 10.894 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.581 -3.684 11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.599 -4.832 10.495 1.00 0.00 H new ATOM 538 N VAL A 38 -10.283 -3.033 6.256 1.00 0.00 N ATOM 539 CA VAL A 38 -9.176 -3.173 5.318 1.00 0.00 C ATOM 540 C VAL A 38 -7.883 -2.617 5.905 1.00 0.00 C ATOM 541 O VAL A 38 -7.760 -1.413 6.131 1.00 0.00 O ATOM 542 CB VAL A 38 -9.473 -2.455 3.988 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.317 -2.630 3.016 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.771 -2.969 3.384 1.00 0.00 C ATOM 0 H VAL A 38 -10.368 -2.106 6.672 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.056 -4.240 5.128 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.589 -1.390 4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.546 -2.116 2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.410 -2.209 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.166 -3.691 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.966 -2.451 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.687 -4.040 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.592 -2.785 4.077 1.00 0.00 H new ATOM 554 N ARG A 39 -6.922 -3.501 6.149 1.00 0.00 N ATOM 555 CA ARG A 39 -5.639 -3.099 6.711 1.00 0.00 C ATOM 556 C ARG A 39 -4.557 -3.077 5.635 1.00 0.00 C ATOM 557 O ARG A 39 -4.491 -3.968 4.788 1.00 0.00 O ATOM 558 CB ARG A 39 -5.231 -4.049 7.839 1.00 0.00 C ATOM 559 CG ARG A 39 -5.679 -3.586 9.216 1.00 0.00 C ATOM 560 CD ARG A 39 -5.088 -4.455 10.315 1.00 0.00 C ATOM 561 NE ARG A 39 -5.949 -5.591 10.637 1.00 0.00 N ATOM 562 CZ ARG A 39 -5.845 -6.297 11.757 1.00 0.00 C ATOM 563 NH1 ARG A 39 -4.924 -5.985 12.658 1.00 0.00 N ATOM 564 NH2 ARG A 39 -6.665 -7.317 11.979 1.00 0.00 N ATOM 0 H ARG A 39 -7.008 -4.501 5.966 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.748 -2.092 7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.651 -5.035 7.642 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.146 -4.158 7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.378 -2.550 9.368 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.767 -3.614 9.274 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.109 -4.819 10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.933 -3.852 11.210 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.669 -5.856 9.965 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.293 -5.201 12.492 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.846 -6.529 13.517 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.376 -7.559 11.289 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.584 -7.858 12.840 1.00 0.00 H new ATOM 578 N VAL A 40 -3.710 -2.053 5.675 1.00 0.00 N ATOM 579 CA VAL A 40 -2.631 -1.915 4.704 1.00 0.00 C ATOM 580 C VAL A 40 -1.298 -1.660 5.397 1.00 0.00 C ATOM 581 O VAL A 40 -1.193 -0.795 6.268 1.00 0.00 O ATOM 582 CB VAL A 40 -2.911 -0.769 3.714 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.811 -0.688 2.666 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.271 -0.952 3.057 1.00 0.00 C ATOM 0 H VAL A 40 -3.750 -1.307 6.369 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.577 -2.855 4.154 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.924 0.170 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.026 0.127 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.854 -0.506 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.764 -1.627 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.452 -0.133 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.290 -1.898 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.047 -0.956 3.822 1.00 0.00 H new ATOM 594 N THR A 41 -0.278 -2.418 5.005 1.00 0.00 N ATOM 595 CA THR A 41 1.049 -2.275 5.588 1.00 0.00 C ATOM 596 C THR A 41 2.105 -2.066 4.509 1.00 0.00 C ATOM 597 O THR A 41 2.217 -2.861 3.575 1.00 0.00 O ATOM 598 CB THR A 41 1.429 -3.508 6.430 1.00 0.00 C ATOM 599 OG1 THR A 41 1.234 -4.702 5.664 1.00 0.00 O ATOM 600 CG2 THR A 41 0.596 -3.573 7.701 1.00 0.00 C ATOM 0 H THR A 41 -0.347 -3.138 4.285 1.00 0.00 H new ATOM 0 HA THR A 41 1.016 -1.398 6.235 1.00 0.00 H new ATOM 0 HB THR A 41 2.480 -3.422 6.708 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.479 -5.481 6.205 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.882 -4.452 8.279 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.769 -2.676 8.295 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.460 -3.638 7.441 1.00 0.00 H new ATOM 608 N TYR A 42 2.877 -0.994 4.642 1.00 0.00 N ATOM 609 CA TYR A 42 3.923 -0.680 3.676 1.00 0.00 C ATOM 610 C TYR A 42 5.302 -0.743 4.327 1.00 0.00 C ATOM 611 O TYR A 42 5.441 -0.552 5.535 1.00 0.00 O ATOM 612 CB TYR A 42 3.693 0.709 3.077 1.00 0.00 C ATOM 613 CG TYR A 42 3.425 1.778 4.112 1.00 0.00 C ATOM 614 CD1 TYR A 42 2.143 1.992 4.603 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.454 2.574 4.600 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.893 2.968 5.547 1.00 0.00 C ATOM 617 CE2 TYR A 42 4.214 3.552 5.546 1.00 0.00 C ATOM 618 CZ TYR A 42 2.931 3.745 6.016 1.00 0.00 C ATOM 619 OH TYR A 42 2.687 4.718 6.958 1.00 0.00 O ATOM 0 H TYR A 42 2.798 -0.327 5.410 1.00 0.00 H new ATOM 0 HA TYR A 42 3.882 -1.423 2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.568 0.993 2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.850 0.663 2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.328 1.384 4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.459 2.426 4.233 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.890 3.122 5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.025 4.162 5.915 1.00 0.00 H new ATOM 0 HH TYR A 42 3.525 5.174 7.182 1.00 0.00 H new ATOM 629 N VAL A 43 6.320 -1.013 3.515 1.00 0.00 N ATOM 630 CA VAL A 43 7.689 -1.100 4.009 1.00 0.00 C ATOM 631 C VAL A 43 8.690 -0.719 2.924 1.00 0.00 C ATOM 632 O VAL A 43 8.473 -0.988 1.743 1.00 0.00 O ATOM 633 CB VAL A 43 8.013 -2.518 4.516 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.933 -3.524 3.377 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.386 -2.549 5.169 1.00 0.00 C ATOM 0 H VAL A 43 6.222 -1.175 2.513 1.00 0.00 H new ATOM 0 HA VAL A 43 7.772 -0.398 4.838 1.00 0.00 H new ATOM 0 HB VAL A 43 7.272 -2.795 5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.165 -4.520 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.927 -3.520 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.650 -3.254 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.599 -3.558 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.142 -2.252 4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.403 -1.859 6.013 1.00 0.00 H new ATOM 645 N SER A 44 9.787 -0.091 3.334 1.00 0.00 N ATOM 646 CA SER A 44 10.821 0.331 2.397 1.00 0.00 C ATOM 647 C SER A 44 11.648 -0.862 1.927 1.00 0.00 C ATOM 648 O SER A 44 11.698 -1.897 2.591 1.00 0.00 O ATOM 649 CB SER A 44 11.733 1.374 3.046 1.00 0.00 C ATOM 650 OG SER A 44 12.700 1.849 2.126 1.00 0.00 O ATOM 0 H SER A 44 9.983 0.137 4.309 1.00 0.00 H new ATOM 0 HA SER A 44 10.331 0.776 1.531 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.134 2.208 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.233 0.937 3.911 1.00 0.00 H new ATOM 0 HG SER A 44 13.269 2.515 2.565 1.00 0.00 H new ATOM 714 N SER A 50 8.488 1.251 8.043 1.00 0.00 N ATOM 715 CA SER A 50 7.282 0.459 7.838 1.00 0.00 C ATOM 716 C SER A 50 6.091 1.087 8.556 1.00 0.00 C ATOM 717 O SER A 50 6.238 1.680 9.624 1.00 0.00 O ATOM 718 CB SER A 50 7.494 -0.972 8.335 1.00 0.00 C ATOM 719 OG SER A 50 7.799 -0.992 9.719 1.00 0.00 O ATOM 0 HA SER A 50 7.070 0.437 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.596 -1.562 8.149 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.304 -1.439 7.774 1.00 0.00 H new ATOM 0 HG SER A 50 8.166 -0.123 9.986 1.00 0.00 H new ATOM 725 N GLY A 51 4.910 0.951 7.961 1.00 0.00 N ATOM 726 CA GLY A 51 3.710 1.510 8.557 1.00 0.00 C ATOM 727 C GLY A 51 2.482 0.662 8.291 1.00 0.00 C ATOM 728 O GLY A 51 2.490 -0.193 7.406 1.00 0.00 O ATOM 0 H GLY A 51 4.762 0.464 7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.854 1.608 9.633 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.547 2.514 8.165 1.00 0.00 H new ATOM 732 N GLN A 52 1.425 0.898 9.061 1.00 0.00 N ATOM 733 CA GLN A 52 0.185 0.146 8.906 1.00 0.00 C ATOM 734 C GLN A 52 -1.028 1.057 9.069 1.00 0.00 C ATOM 735 O GLN A 52 -1.246 1.634 10.135 1.00 0.00 O ATOM 736 CB GLN A 52 0.122 -0.993 9.925 1.00 0.00 C ATOM 737 CG GLN A 52 -1.199 -1.744 9.918 1.00 0.00 C ATOM 738 CD GLN A 52 -1.179 -2.968 10.811 1.00 0.00 C ATOM 739 OE1 GLN A 52 -1.187 -2.857 12.037 1.00 0.00 O ATOM 740 NE2 GLN A 52 -1.154 -4.147 10.200 1.00 0.00 N ATOM 0 H GLN A 52 1.402 1.603 9.798 1.00 0.00 H new ATOM 0 HA GLN A 52 0.169 -0.275 7.901 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.931 -1.695 9.723 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.294 -0.587 10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.995 -1.074 10.244 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.435 -2.047 8.898 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.148 -4.193 9.181 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.141 -5.006 10.750 1.00 0.00 H new ATOM 749 N THR A 53 -1.815 1.183 8.005 1.00 0.00 N ATOM 750 CA THR A 53 -3.004 2.025 8.029 1.00 0.00 C ATOM 751 C THR A 53 -4.275 1.183 7.995 1.00 0.00 C ATOM 752 O THR A 53 -4.257 0.036 7.551 1.00 0.00 O ATOM 753 CB THR A 53 -3.021 3.008 6.843 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.183 3.842 6.915 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.010 2.259 5.519 1.00 0.00 C ATOM 0 H THR A 53 -1.650 0.712 7.115 1.00 0.00 H new ATOM 0 HA THR A 53 -2.971 2.591 8.960 1.00 0.00 H new ATOM 0 HB THR A 53 -2.126 3.627 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.186 4.465 6.159 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.022 2.974 4.696 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.110 1.647 5.455 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.890 1.618 5.456 1.00 0.00 H new ATOM 763 N GLU A 54 -5.375 1.761 8.467 1.00 0.00 N ATOM 764 CA GLU A 54 -6.655 1.062 8.489 1.00 0.00 C ATOM 765 C GLU A 54 -7.691 1.797 7.645 1.00 0.00 C ATOM 766 O GLU A 54 -7.759 3.026 7.657 1.00 0.00 O ATOM 767 CB GLU A 54 -7.159 0.921 9.927 1.00 0.00 C ATOM 768 CG GLU A 54 -6.512 -0.223 10.690 1.00 0.00 C ATOM 769 CD GLU A 54 -6.849 -0.203 12.168 1.00 0.00 C ATOM 770 OE1 GLU A 54 -8.049 -0.108 12.501 1.00 0.00 O ATOM 771 OE2 GLU A 54 -5.914 -0.283 12.991 1.00 0.00 O ATOM 0 H GLU A 54 -5.406 2.710 8.839 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.505 0.069 8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.974 1.853 10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.239 0.772 9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.836 -1.171 10.260 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.430 -0.171 10.567 1.00 0.00 H new ATOM 778 N ALA A 55 -8.497 1.035 6.912 1.00 0.00 N ATOM 779 CA ALA A 55 -9.531 1.613 6.063 1.00 0.00 C ATOM 780 C ALA A 55 -10.840 0.841 6.190 1.00 0.00 C ATOM 781 O ALA A 55 -10.870 -0.312 6.621 1.00 0.00 O ATOM 782 CB ALA A 55 -9.070 1.639 4.613 1.00 0.00 C ATOM 0 H ALA A 55 -8.453 0.016 6.889 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.709 2.636 6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.852 2.073 3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.164 2.240 4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.863 0.622 4.279 1.00 0.00 H new ATOM 788 N PRO A 56 -11.950 1.489 5.806 1.00 0.00 N ATOM 789 CA PRO A 56 -13.283 0.882 5.868 1.00 0.00 C ATOM 790 C PRO A 56 -13.461 -0.231 4.842 1.00 0.00 C ATOM 791 O PRO A 56 -12.862 -0.200 3.767 1.00 0.00 O ATOM 792 CB PRO A 56 -14.220 2.052 5.556 1.00 0.00 C ATOM 793 CG PRO A 56 -13.392 2.998 4.758 1.00 0.00 C ATOM 794 CD PRO A 56 -11.989 2.865 5.282 1.00 0.00 C ATOM 0 HA PRO A 56 -13.472 0.412 6.833 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.094 1.721 4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.586 2.520 6.470 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.437 2.755 3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.754 4.020 4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.250 3.017 4.495 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.780 3.598 6.061 1.00 0.00 H new ATOM 802 N GLY A 57 -14.289 -1.215 5.180 1.00 0.00 N ATOM 803 CA GLY A 57 -14.531 -2.325 4.276 1.00 0.00 C ATOM 804 C GLY A 57 -14.995 -1.867 2.908 1.00 0.00 C ATOM 805 O GLY A 57 -15.000 -2.646 1.955 1.00 0.00 O ATOM 0 H GLY A 57 -14.796 -1.263 6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.617 -2.909 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.282 -2.985 4.709 1.00 0.00 H new ATOM 809 N ASN A 58 -15.386 -0.601 2.810 1.00 0.00 N ATOM 810 CA ASN A 58 -15.857 -0.042 1.548 1.00 0.00 C ATOM 811 C ASN A 58 -14.817 0.901 0.950 1.00 0.00 C ATOM 812 O ASN A 58 -15.138 1.747 0.116 1.00 0.00 O ATOM 813 CB ASN A 58 -17.177 0.703 1.757 1.00 0.00 C ATOM 814 CG ASN A 58 -17.247 1.387 3.108 1.00 0.00 C ATOM 815 OD1 ASN A 58 -16.865 2.549 3.249 1.00 0.00 O ATOM 816 ND2 ASN A 58 -17.737 0.667 4.111 1.00 0.00 N ATOM 0 H ASN A 58 -15.386 0.057 3.589 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.019 -0.865 0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.300 1.447 0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.006 0.001 1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.808 1.074 5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.042 -0.293 3.949 1.00 0.00 H new ATOM 823 N ALA A 59 -13.569 0.747 1.381 1.00 0.00 N ATOM 824 CA ALA A 59 -12.482 1.582 0.886 1.00 0.00 C ATOM 825 C ALA A 59 -11.798 0.938 -0.315 1.00 0.00 C ATOM 826 O ALA A 59 -11.165 -0.112 -0.194 1.00 0.00 O ATOM 827 CB ALA A 59 -11.472 1.844 1.994 1.00 0.00 C ATOM 0 H ALA A 59 -13.286 0.052 2.072 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.905 2.533 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.665 2.469 1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.964 2.354 2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.062 0.897 2.344 1.00 0.00 H new ATOM 833 N THR A 60 -11.929 1.572 -1.476 1.00 0.00 N ATOM 834 CA THR A 60 -11.325 1.060 -2.699 1.00 0.00 C ATOM 835 C THR A 60 -10.100 1.877 -3.091 1.00 0.00 C ATOM 836 O THR A 60 -9.647 1.825 -4.235 1.00 0.00 O ATOM 837 CB THR A 60 -12.330 1.069 -3.867 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.761 2.409 -4.133 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.535 0.196 -3.552 1.00 0.00 C ATOM 0 H THR A 60 -12.449 2.442 -1.595 1.00 0.00 H new ATOM 0 HA THR A 60 -11.023 0.032 -2.497 1.00 0.00 H new ATOM 0 HB THR A 60 -11.831 0.667 -4.749 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.398 2.406 -4.878 1.00 0.00 H new ATOM 0 HG21 THR A 60 -14.230 0.219 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 60 -13.207 -0.829 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.033 0.572 -2.658 1.00 0.00 H new ATOM 847 N SER A 61 -9.567 2.632 -2.136 1.00 0.00 N ATOM 848 CA SER A 61 -8.394 3.463 -2.383 1.00 0.00 C ATOM 849 C SER A 61 -7.904 4.109 -1.090 1.00 0.00 C ATOM 850 O SER A 61 -8.693 4.652 -0.317 1.00 0.00 O ATOM 851 CB SER A 61 -8.718 4.544 -3.416 1.00 0.00 C ATOM 852 OG SER A 61 -9.915 5.225 -3.084 1.00 0.00 O ATOM 0 H SER A 61 -9.929 2.686 -1.184 1.00 0.00 H new ATOM 0 HA SER A 61 -7.601 2.824 -2.772 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.895 5.256 -3.472 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.815 4.091 -4.403 1.00 0.00 H new ATOM 0 HG SER A 61 -10.099 5.912 -3.759 1.00 0.00 H new ATOM 858 N ALA A 62 -6.596 4.046 -0.863 1.00 0.00 N ATOM 859 CA ALA A 62 -6.000 4.626 0.333 1.00 0.00 C ATOM 860 C ALA A 62 -4.676 5.311 0.010 1.00 0.00 C ATOM 861 O ALA A 62 -4.034 4.999 -0.992 1.00 0.00 O ATOM 862 CB ALA A 62 -5.796 3.554 1.394 1.00 0.00 C ATOM 0 H ALA A 62 -5.929 3.599 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.685 5.380 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.350 4.001 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.758 3.112 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.134 2.780 1.006 1.00 0.00 H new ATOM 868 N MET A 63 -4.276 6.247 0.865 1.00 0.00 N ATOM 869 CA MET A 63 -3.028 6.976 0.669 1.00 0.00 C ATOM 870 C MET A 63 -1.978 6.539 1.686 1.00 0.00 C ATOM 871 O MET A 63 -2.305 5.947 2.716 1.00 0.00 O ATOM 872 CB MET A 63 -3.269 8.482 0.783 1.00 0.00 C ATOM 873 CG MET A 63 -4.126 9.047 -0.338 1.00 0.00 C ATOM 874 SD MET A 63 -3.776 10.784 -0.673 1.00 0.00 S ATOM 875 CE MET A 63 -2.042 10.700 -1.115 1.00 0.00 C ATOM 0 H MET A 63 -4.797 6.518 1.699 1.00 0.00 H new ATOM 0 HA MET A 63 -2.657 6.749 -0.331 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.749 8.693 1.738 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.308 8.996 0.789 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.960 8.466 -1.245 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.178 8.936 -0.076 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.820 11.461 -1.863 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.432 10.874 -0.229 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.818 9.714 -1.522 1.00 0.00 H new ATOM 885 N LEU A 64 -0.717 6.834 1.391 1.00 0.00 N ATOM 886 CA LEU A 64 0.382 6.471 2.280 1.00 0.00 C ATOM 887 C LEU A 64 1.377 7.619 2.412 1.00 0.00 C ATOM 888 O LEU A 64 1.493 8.459 1.521 1.00 0.00 O ATOM 889 CB LEU A 64 1.093 5.221 1.760 1.00 0.00 C ATOM 890 CG LEU A 64 0.195 4.033 1.413 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.961 3.006 0.593 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.362 3.398 2.679 1.00 0.00 C ATOM 0 H LEU A 64 -0.430 7.323 0.543 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.034 6.261 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.660 5.494 0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.814 4.899 2.511 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.640 4.396 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.306 2.168 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.311 3.466 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.816 2.647 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.999 2.554 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.461 3.049 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.947 4.135 3.229 1.00 0.00 H new ATOM 904 N GLY A 65 2.096 7.647 3.530 1.00 0.00 N ATOM 905 CA GLY A 65 3.074 8.695 3.757 1.00 0.00 C ATOM 906 C GLY A 65 3.080 9.181 5.193 1.00 0.00 C ATOM 907 O GLY A 65 2.228 8.810 6.000 1.00 0.00 O ATOM 0 H GLY A 65 2.019 6.963 4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.066 8.325 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.864 9.534 3.094 1.00 0.00 H new ATOM 911 N PRO A 66 4.061 10.031 5.530 1.00 0.00 N ATOM 912 CA PRO A 66 5.082 10.480 4.578 1.00 0.00 C ATOM 913 C PRO A 66 6.047 9.364 4.194 1.00 0.00 C ATOM 914 O PRO A 66 6.653 8.729 5.058 1.00 0.00 O ATOM 915 CB PRO A 66 5.817 11.585 5.340 1.00 0.00 C ATOM 916 CG PRO A 66 5.611 11.254 6.778 1.00 0.00 C ATOM 917 CD PRO A 66 4.251 10.620 6.866 1.00 0.00 C ATOM 0 HA PRO A 66 4.644 10.812 3.637 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.877 11.604 5.086 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.414 12.568 5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.383 10.573 7.136 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.665 12.150 7.396 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.211 9.862 7.648 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.479 11.355 7.094 1.00 0.00 H new ATOM 925 N LEU A 67 6.187 9.129 2.894 1.00 0.00 N ATOM 926 CA LEU A 67 7.080 8.089 2.396 1.00 0.00 C ATOM 927 C LEU A 67 8.418 8.681 1.965 1.00 0.00 C ATOM 928 O LEU A 67 8.652 9.881 2.108 1.00 0.00 O ATOM 929 CB LEU A 67 6.433 7.354 1.220 1.00 0.00 C ATOM 930 CG LEU A 67 4.981 6.917 1.419 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.458 6.223 0.172 1.00 0.00 C ATOM 932 CD2 LEU A 67 4.860 6.005 2.631 1.00 0.00 C ATOM 0 H LEU A 67 5.693 9.645 2.166 1.00 0.00 H new ATOM 0 HA LEU A 67 7.260 7.381 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.480 8.000 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.030 6.470 0.997 1.00 0.00 H new ATOM 0 HG LEU A 67 4.375 7.805 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.424 5.919 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.508 6.908 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.067 5.343 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.820 5.704 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.479 5.120 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.194 6.537 3.522 1.00 0.00 H new ATOM 944 N SER A 68 9.293 7.831 1.437 1.00 0.00 N ATOM 945 CA SER A 68 10.609 8.270 0.987 1.00 0.00 C ATOM 946 C SER A 68 10.599 8.571 -0.509 1.00 0.00 C ATOM 947 O SER A 68 9.594 8.363 -1.189 1.00 0.00 O ATOM 948 CB SER A 68 11.659 7.201 1.296 1.00 0.00 C ATOM 949 OG SER A 68 12.969 7.738 1.226 1.00 0.00 O ATOM 0 H SER A 68 9.115 6.835 1.310 1.00 0.00 H new ATOM 0 HA SER A 68 10.863 9.185 1.523 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.483 6.791 2.290 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.562 6.377 0.590 1.00 0.00 H new ATOM 0 HG SER A 68 13.622 7.036 1.429 1.00 0.00 H new ATOM 955 N SER A 69 11.726 9.062 -1.014 1.00 0.00 N ATOM 956 CA SER A 69 11.847 9.397 -2.429 1.00 0.00 C ATOM 957 C SER A 69 12.760 8.405 -3.145 1.00 0.00 C ATOM 958 O SER A 69 13.678 7.846 -2.546 1.00 0.00 O ATOM 959 CB SER A 69 12.390 10.818 -2.594 1.00 0.00 C ATOM 960 OG SER A 69 13.558 11.011 -1.815 1.00 0.00 O ATOM 0 H SER A 69 12.568 9.237 -0.465 1.00 0.00 H new ATOM 0 HA SER A 69 10.855 9.341 -2.877 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.614 11.005 -3.644 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.628 11.539 -2.297 1.00 0.00 H new ATOM 0 HG SER A 69 14.061 11.777 -2.163 1.00 0.00 H new ATOM 966 N SER A 70 12.499 8.194 -4.431 1.00 0.00 N ATOM 967 CA SER A 70 13.293 7.268 -5.229 1.00 0.00 C ATOM 968 C SER A 70 13.515 5.957 -4.480 1.00 0.00 C ATOM 969 O SER A 70 14.531 5.285 -4.666 1.00 0.00 O ATOM 970 CB SER A 70 14.640 7.897 -5.589 1.00 0.00 C ATOM 971 OG SER A 70 15.387 7.049 -6.444 1.00 0.00 O ATOM 0 H SER A 70 11.744 8.652 -4.942 1.00 0.00 H new ATOM 0 HA SER A 70 12.743 7.054 -6.146 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.477 8.858 -6.077 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.208 8.093 -4.680 1.00 0.00 H new ATOM 0 HG SER A 70 15.331 6.126 -6.119 1.00 0.00 H new ATOM 977 N THR A 71 12.557 5.599 -3.631 1.00 0.00 N ATOM 978 CA THR A 71 12.647 4.370 -2.852 1.00 0.00 C ATOM 979 C THR A 71 11.402 3.510 -3.036 1.00 0.00 C ATOM 980 O THR A 71 10.279 3.973 -2.837 1.00 0.00 O ATOM 981 CB THR A 71 12.834 4.668 -1.352 1.00 0.00 C ATOM 982 OG1 THR A 71 14.025 5.437 -1.150 1.00 0.00 O ATOM 983 CG2 THR A 71 12.914 3.378 -0.550 1.00 0.00 C ATOM 0 H THR A 71 11.710 6.143 -3.465 1.00 0.00 H new ATOM 0 HA THR A 71 13.518 3.827 -3.218 1.00 0.00 H new ATOM 0 HB THR A 71 11.972 5.238 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.947 6.291 -1.624 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.046 3.614 0.506 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.994 2.809 -0.683 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.760 2.785 -0.898 1.00 0.00 H new ATOM 991 N THR A 72 11.608 2.253 -3.418 1.00 0.00 N ATOM 992 CA THR A 72 10.502 1.328 -3.630 1.00 0.00 C ATOM 993 C THR A 72 9.940 0.830 -2.304 1.00 0.00 C ATOM 994 O THR A 72 10.687 0.405 -1.422 1.00 0.00 O ATOM 995 CB THR A 72 10.937 0.117 -4.477 1.00 0.00 C ATOM 996 OG1 THR A 72 11.390 0.556 -5.763 1.00 0.00 O ATOM 997 CG2 THR A 72 9.788 -0.865 -4.647 1.00 0.00 C ATOM 0 H THR A 72 12.531 1.853 -3.587 1.00 0.00 H new ATOM 0 HA THR A 72 9.728 1.878 -4.166 1.00 0.00 H new ATOM 0 HB THR A 72 11.752 -0.388 -3.958 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.666 -0.219 -6.295 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.119 -1.712 -5.248 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.465 -1.219 -3.668 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.956 -0.369 -5.146 1.00 0.00 H new ATOM 1005 N TYR A 73 8.620 0.885 -2.168 1.00 0.00 N ATOM 1006 CA TYR A 73 7.958 0.440 -0.947 1.00 0.00 C ATOM 1007 C TYR A 73 6.985 -0.698 -1.239 1.00 0.00 C ATOM 1008 O TYR A 73 6.181 -0.622 -2.168 1.00 0.00 O ATOM 1009 CB TYR A 73 7.214 1.606 -0.292 1.00 0.00 C ATOM 1010 CG TYR A 73 8.084 2.444 0.618 1.00 0.00 C ATOM 1011 CD1 TYR A 73 9.147 3.180 0.110 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.843 2.498 1.985 1.00 0.00 C ATOM 1013 CE1 TYR A 73 9.945 3.947 0.937 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.634 3.263 2.819 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.684 3.985 2.291 1.00 0.00 C ATOM 1016 OH TYR A 73 10.476 4.747 3.120 1.00 0.00 O ATOM 0 H TYR A 73 7.987 1.233 -2.888 1.00 0.00 H new ATOM 0 HA TYR A 73 8.722 0.074 -0.262 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.797 2.244 -1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.374 1.214 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.353 3.152 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.023 1.932 2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.768 4.513 0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.432 3.296 3.879 1.00 0.00 H new ATOM 0 HH TYR A 73 10.157 4.665 4.043 1.00 0.00 H new ATOM 1026 N THR A 74 7.064 -1.755 -0.436 1.00 0.00 N ATOM 1027 CA THR A 74 6.192 -2.911 -0.606 1.00 0.00 C ATOM 1028 C THR A 74 4.893 -2.739 0.172 1.00 0.00 C ATOM 1029 O THR A 74 4.860 -2.908 1.391 1.00 0.00 O ATOM 1030 CB THR A 74 6.884 -4.208 -0.147 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.162 -4.333 -0.782 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.029 -5.423 -0.475 1.00 0.00 C ATOM 0 H THR A 74 7.723 -1.834 0.338 1.00 0.00 H new ATOM 0 HA THR A 74 5.968 -2.984 -1.670 1.00 0.00 H new ATOM 0 HB THR A 74 7.019 -4.159 0.934 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.596 -5.159 -0.484 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.538 -6.327 -0.141 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.068 -5.340 0.033 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.867 -5.474 -1.552 1.00 0.00 H new ATOM 1040 N VAL A 75 3.822 -2.401 -0.540 1.00 0.00 N ATOM 1041 CA VAL A 75 2.519 -2.208 0.084 1.00 0.00 C ATOM 1042 C VAL A 75 1.714 -3.503 0.086 1.00 0.00 C ATOM 1043 O VAL A 75 1.610 -4.183 -0.934 1.00 0.00 O ATOM 1044 CB VAL A 75 1.709 -1.114 -0.636 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.348 -0.937 0.021 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.479 0.198 -0.648 1.00 0.00 C ATOM 0 H VAL A 75 3.832 -2.255 -1.549 1.00 0.00 H new ATOM 0 HA VAL A 75 2.703 -1.896 1.112 1.00 0.00 H new ATOM 0 HB VAL A 75 1.550 -1.425 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.210 -0.160 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.204 -1.875 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.482 -0.649 1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.892 0.960 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.671 0.516 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.427 0.059 -1.168 1.00 0.00 H new ATOM 1056 N ARG A 76 1.144 -3.837 1.240 1.00 0.00 N ATOM 1057 CA ARG A 76 0.348 -5.050 1.376 1.00 0.00 C ATOM 1058 C ARG A 76 -1.070 -4.722 1.835 1.00 0.00 C ATOM 1059 O ARG A 76 -1.287 -4.325 2.980 1.00 0.00 O ATOM 1060 CB ARG A 76 1.007 -6.010 2.368 1.00 0.00 C ATOM 1061 CG ARG A 76 0.725 -7.475 2.078 1.00 0.00 C ATOM 1062 CD ARG A 76 1.581 -8.389 2.941 1.00 0.00 C ATOM 1063 NE ARG A 76 3.007 -8.201 2.688 1.00 0.00 N ATOM 1064 CZ ARG A 76 3.752 -7.297 3.314 1.00 0.00 C ATOM 1065 NH1 ARG A 76 3.208 -6.501 4.225 1.00 0.00 N ATOM 1066 NH2 ARG A 76 5.043 -7.187 3.030 1.00 0.00 N ATOM 0 H ARG A 76 1.219 -3.284 2.094 1.00 0.00 H new ATOM 0 HA ARG A 76 0.293 -5.529 0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.085 -5.847 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.660 -5.774 3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.329 -7.686 2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.917 -7.682 1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.371 -8.196 3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.312 -9.427 2.747 1.00 0.00 H new ATOM 0 HE ARG A 76 3.456 -8.797 1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.216 -6.582 4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.782 -5.808 4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.465 -7.797 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.614 -6.492 3.512 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.032 -4.889 0.933 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.429 -4.612 1.245 1.00 0.00 C ATOM 1082 C VAL A 77 -4.166 -5.884 1.647 1.00 0.00 C ATOM 1083 O VAL A 77 -4.411 -6.762 0.818 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.154 -3.968 0.048 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.623 -3.746 0.370 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.481 -2.660 -0.341 1.00 0.00 C ATOM 0 H VAL A 77 -1.869 -5.215 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.434 -3.914 2.082 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.092 -4.649 -0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.119 -3.290 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.095 -4.702 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.711 -3.086 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.006 -2.219 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.510 -1.971 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.444 -2.852 -0.617 1.00 0.00 H new ATOM 1096 N THR A 78 -4.518 -5.979 2.925 1.00 0.00 N ATOM 1097 CA THR A 78 -5.227 -7.144 3.438 1.00 0.00 C ATOM 1098 C THR A 78 -6.664 -6.795 3.807 1.00 0.00 C ATOM 1099 O THR A 78 -6.908 -5.873 4.587 1.00 0.00 O ATOM 1100 CB THR A 78 -4.520 -7.733 4.674 1.00 0.00 C ATOM 1101 OG1 THR A 78 -3.150 -8.014 4.367 1.00 0.00 O ATOM 1102 CG2 THR A 78 -5.212 -9.005 5.138 1.00 0.00 C ATOM 0 H THR A 78 -4.323 -5.262 3.624 1.00 0.00 H new ATOM 0 HA THR A 78 -5.230 -7.888 2.641 1.00 0.00 H new ATOM 0 HB THR A 78 -4.568 -6.998 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.707 -8.386 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.695 -9.402 6.012 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.247 -8.782 5.399 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.191 -9.744 4.337 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.612 -7.536 3.244 1.00 0.00 N ATOM 1111 CA CYS A 79 -9.026 -7.305 3.514 1.00 0.00 C ATOM 1112 C CYS A 79 -9.579 -8.364 4.463 1.00 0.00 C ATOM 1113 O CYS A 79 -9.815 -9.506 4.066 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.823 -7.305 2.209 1.00 0.00 C ATOM 1115 SG CYS A 79 -9.189 -6.166 0.957 1.00 0.00 S ATOM 0 H CYS A 79 -7.426 -8.303 2.597 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.125 -6.330 3.991 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.826 -8.315 1.798 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.859 -7.047 2.428 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.927 -6.240 -0.110 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.782 -7.978 5.718 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.306 -8.895 6.724 1.00 0.00 C ATOM 1123 C LEU A 80 -11.813 -9.072 6.568 1.00 0.00 C ATOM 1124 O LEU A 80 -12.588 -8.156 6.843 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.984 -8.380 8.128 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.612 -8.762 8.685 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.435 -10.273 8.678 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.506 -8.090 7.886 1.00 0.00 C ATOM 0 H LEU A 80 -9.592 -7.037 6.063 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.829 -9.864 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.061 -7.293 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.748 -8.749 8.813 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.550 -8.414 9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.453 -10.526 9.078 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.207 -10.733 9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.518 -10.644 7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.537 -8.373 8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.565 -8.407 6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.622 -7.008 7.943 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.221 -10.257 6.127 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.636 -10.554 5.934 1.00 0.00 C ATOM 1142 C TYR A 81 -14.312 -10.874 7.264 1.00 0.00 C ATOM 1143 O TYR A 81 -13.713 -11.453 8.170 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.804 -11.728 4.968 1.00 0.00 C ATOM 1145 CG TYR A 81 -13.138 -11.510 3.628 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -13.473 -10.421 2.833 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -12.174 -12.393 3.158 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.868 -10.219 1.607 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.563 -12.198 1.934 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.913 -11.110 1.163 1.00 0.00 C ATOM 1151 OH TYR A 81 -11.307 -10.911 -0.056 1.00 0.00 O ATOM 0 H TYR A 81 -11.593 -11.027 5.897 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.112 -9.671 5.509 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.392 -12.627 5.427 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.867 -11.909 4.811 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.219 -9.721 3.179 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.897 -13.246 3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.141 -9.369 1.000 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.815 -12.894 1.583 1.00 0.00 H new ATOM 0 HH TYR A 81 -11.271 -9.951 -0.251 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.591 -10.488 7.384 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.378 -10.724 8.598 1.00 0.00 C ATOM 1163 C PRO A 82 -16.701 -12.200 8.802 1.00 0.00 C ATOM 1164 O PRO A 82 -17.326 -12.578 9.792 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.659 -9.925 8.350 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.776 -9.846 6.867 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.367 -9.793 6.343 1.00 0.00 C ATOM 0 HA PRO A 82 -15.840 -10.425 9.498 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.525 -10.420 8.790 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.599 -8.932 8.796 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.307 -10.711 6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.338 -8.962 6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.278 -10.289 5.377 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.027 -8.766 6.206 1.00 0.00 H new ATOM 1207 N SER A 87 -7.909 -11.756 2.077 1.00 0.00 N ATOM 1208 CA SER A 87 -7.024 -11.722 0.919 1.00 0.00 C ATOM 1209 C SER A 87 -5.868 -10.753 1.147 1.00 0.00 C ATOM 1210 O SER A 87 -5.914 -9.912 2.046 1.00 0.00 O ATOM 1211 CB SER A 87 -7.803 -11.319 -0.334 1.00 0.00 C ATOM 1212 OG SER A 87 -6.956 -11.273 -1.469 1.00 0.00 O ATOM 0 HA SER A 87 -6.614 -12.722 0.777 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.611 -12.030 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.264 -10.343 -0.181 1.00 0.00 H new ATOM 0 HG SER A 87 -7.118 -10.443 -1.964 1.00 0.00 H new ATOM 1218 N THR A 88 -4.830 -10.875 0.325 1.00 0.00 N ATOM 1219 CA THR A 88 -3.661 -10.012 0.436 1.00 0.00 C ATOM 1220 C THR A 88 -3.109 -9.654 -0.940 1.00 0.00 C ATOM 1221 O THR A 88 -2.655 -10.525 -1.683 1.00 0.00 O ATOM 1222 CB THR A 88 -2.548 -10.678 1.266 1.00 0.00 C ATOM 1223 OG1 THR A 88 -3.090 -11.197 2.486 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.439 -9.684 1.580 1.00 0.00 C ATOM 0 H THR A 88 -4.776 -11.564 -0.425 1.00 0.00 H new ATOM 0 HA THR A 88 -3.986 -9.103 0.942 1.00 0.00 H new ATOM 0 HB THR A 88 -2.127 -11.495 0.680 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.376 -11.620 3.007 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.664 -10.177 2.167 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.009 -9.313 0.650 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.849 -8.849 2.148 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.150 -8.369 -1.272 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.653 -7.896 -2.560 1.00 0.00 C ATOM 1234 C LEU A 89 -1.326 -7.162 -2.394 1.00 0.00 C ATOM 1235 O LEU A 89 -1.282 -6.040 -1.890 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.680 -6.972 -3.217 1.00 0.00 C ATOM 1237 CG LEU A 89 -4.845 -7.663 -3.929 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.084 -6.781 -3.903 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.464 -8.010 -5.361 1.00 0.00 C ATOM 0 H LEU A 89 -3.522 -7.636 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.491 -8.763 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.088 -6.312 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.162 -6.341 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.072 -8.589 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.902 -7.288 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.368 -6.583 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.870 -5.839 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.304 -8.501 -5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.210 -7.098 -5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.604 -8.680 -5.357 1.00 0.00 H new ATOM 1251 N THR A 90 -0.244 -7.804 -2.824 1.00 0.00 N ATOM 1252 CA THR A 90 1.085 -7.213 -2.725 1.00 0.00 C ATOM 1253 C THR A 90 1.366 -6.290 -3.906 1.00 0.00 C ATOM 1254 O THR A 90 1.174 -6.668 -5.061 1.00 0.00 O ATOM 1255 CB THR A 90 2.178 -8.296 -2.664 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.134 -9.105 -3.844 1.00 0.00 O ATOM 1257 CG2 THR A 90 2.002 -9.174 -1.434 1.00 0.00 C ATOM 0 H THR A 90 -0.262 -8.733 -3.244 1.00 0.00 H new ATOM 0 HA THR A 90 1.105 -6.634 -1.802 1.00 0.00 H new ATOM 0 HB THR A 90 3.146 -7.800 -2.601 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.810 -8.568 -4.597 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.785 -9.931 -1.413 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.067 -8.559 -0.536 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.028 -9.661 -1.471 1.00 0.00 H new ATOM 1265 N GLY A 91 1.822 -5.077 -3.607 1.00 0.00 N ATOM 1266 CA GLY A 91 2.122 -4.119 -4.655 1.00 0.00 C ATOM 1267 C GLY A 91 3.335 -3.270 -4.334 1.00 0.00 C ATOM 1268 O GLY A 91 3.388 -2.621 -3.289 1.00 0.00 O ATOM 0 H GLY A 91 1.989 -4.741 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.292 -4.651 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.259 -3.471 -4.809 1.00 0.00 H new ATOM 1272 N ARG A 92 4.314 -3.274 -5.233 1.00 0.00 N ATOM 1273 CA ARG A 92 5.534 -2.500 -5.038 1.00 0.00 C ATOM 1274 C ARG A 92 5.493 -1.207 -5.848 1.00 0.00 C ATOM 1275 O ARG A 92 5.392 -1.233 -7.074 1.00 0.00 O ATOM 1276 CB ARG A 92 6.757 -3.326 -5.439 1.00 0.00 C ATOM 1277 CG ARG A 92 7.259 -4.245 -4.337 1.00 0.00 C ATOM 1278 CD ARG A 92 8.467 -5.050 -4.790 1.00 0.00 C ATOM 1279 NE ARG A 92 8.133 -5.981 -5.865 1.00 0.00 N ATOM 1280 CZ ARG A 92 9.025 -6.464 -6.722 1.00 0.00 C ATOM 1281 NH1 ARG A 92 10.299 -6.107 -6.631 1.00 0.00 N ATOM 1282 NH2 ARG A 92 8.644 -7.308 -7.673 1.00 0.00 N ATOM 0 H ARG A 92 4.286 -3.805 -6.104 1.00 0.00 H new ATOM 0 HA ARG A 92 5.607 -2.245 -3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.509 -3.925 -6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.561 -2.651 -5.732 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.523 -3.653 -3.460 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.461 -4.923 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.249 -4.370 -5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.871 -5.604 -3.943 1.00 0.00 H new ATOM 0 HE ARG A 92 7.162 -6.276 -5.963 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.596 -5.460 -5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.982 -6.480 -7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 92 7.665 -7.586 -7.746 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.330 -7.678 -8.331 1.00 0.00 H new ATOM 1296 N VAL A 93 5.571 -0.077 -5.152 1.00 0.00 N ATOM 1297 CA VAL A 93 5.543 1.227 -5.806 1.00 0.00 C ATOM 1298 C VAL A 93 6.825 2.005 -5.534 1.00 0.00 C ATOM 1299 O VAL A 93 7.357 1.980 -4.424 1.00 0.00 O ATOM 1300 CB VAL A 93 4.338 2.064 -5.337 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.389 2.277 -3.832 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.297 3.396 -6.071 1.00 0.00 C ATOM 0 H VAL A 93 5.654 -0.038 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 93 5.453 1.043 -6.877 1.00 0.00 H new ATOM 0 HB VAL A 93 3.425 1.517 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.530 2.870 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.366 1.311 -3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.307 2.802 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.439 3.975 -5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.213 3.951 -5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.209 3.218 -7.143 1.00 0.00 H new ATOM 1312 N THR A 94 7.318 2.697 -6.557 1.00 0.00 N ATOM 1313 CA THR A 94 8.539 3.483 -6.429 1.00 0.00 C ATOM 1314 C THR A 94 8.225 4.968 -6.288 1.00 0.00 C ATOM 1315 O THR A 94 7.819 5.622 -7.250 1.00 0.00 O ATOM 1316 CB THR A 94 9.467 3.280 -7.642 1.00 0.00 C ATOM 1317 OG1 THR A 94 9.767 1.889 -7.801 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.758 4.066 -7.472 1.00 0.00 C ATOM 0 H THR A 94 6.891 2.729 -7.483 1.00 0.00 H new ATOM 0 HA THR A 94 9.046 3.134 -5.529 1.00 0.00 H new ATOM 0 HB THR A 94 8.952 3.644 -8.531 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.315 1.584 -7.048 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.398 3.907 -8.340 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.528 5.127 -7.380 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.275 3.727 -6.574 1.00 0.00 H new ATOM 1326 N THR A 95 8.415 5.497 -5.083 1.00 0.00 N ATOM 1327 CA THR A 95 8.151 6.905 -4.816 1.00 0.00 C ATOM 1328 C THR A 95 8.921 7.801 -5.779 1.00 0.00 C ATOM 1329 O THR A 95 9.884 7.368 -6.411 1.00 0.00 O ATOM 1330 CB THR A 95 8.526 7.283 -3.371 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.802 6.727 -3.035 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.476 6.782 -2.391 1.00 0.00 C ATOM 0 H THR A 95 8.751 4.971 -4.276 1.00 0.00 H new ATOM 0 HA THR A 95 7.081 7.058 -4.958 1.00 0.00 H new ATOM 0 HB THR A 95 8.574 8.370 -3.304 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.965 6.839 -2.075 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.762 7.061 -1.377 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.511 7.229 -2.631 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.401 5.697 -2.461 1.00 0.00 H new ATOM 1340 N LYS A 96 8.491 9.054 -5.887 1.00 0.00 N ATOM 1341 CA LYS A 96 9.140 10.013 -6.772 1.00 0.00 C ATOM 1342 C LYS A 96 10.356 10.640 -6.097 1.00 0.00 C ATOM 1343 O LYS A 96 10.548 10.501 -4.889 1.00 0.00 O ATOM 1344 CB LYS A 96 8.153 11.106 -7.186 1.00 0.00 C ATOM 1345 CG LYS A 96 6.860 10.568 -7.773 1.00 0.00 C ATOM 1346 CD LYS A 96 6.186 11.593 -8.670 1.00 0.00 C ATOM 1347 CE LYS A 96 5.282 10.926 -9.696 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.391 11.910 -10.372 1.00 0.00 N ATOM 0 H LYS A 96 7.695 9.429 -5.372 1.00 0.00 H new ATOM 0 HA LYS A 96 9.475 9.479 -7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.919 11.721 -6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.631 11.757 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.068 9.663 -8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.182 10.287 -6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.601 12.282 -8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.945 12.185 -9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.893 10.417 -10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.676 10.164 -9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.791 11.417 -11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.790 12.378 -9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.969 12.623 -10.861 1.00 0.00 H new ATOM 1362 N LYS A 97 11.174 11.331 -6.884 1.00 0.00 N ATOM 1363 CA LYS A 97 12.369 11.982 -6.362 1.00 0.00 C ATOM 1364 C LYS A 97 12.004 13.222 -5.553 1.00 0.00 C ATOM 1365 O LYS A 97 11.125 13.991 -5.941 1.00 0.00 O ATOM 1366 CB LYS A 97 13.307 12.366 -7.509 1.00 0.00 C ATOM 1367 CG LYS A 97 14.266 11.257 -7.907 1.00 0.00 C ATOM 1368 CD LYS A 97 14.702 11.391 -9.357 1.00 0.00 C ATOM 1369 CE LYS A 97 15.630 12.580 -9.552 1.00 0.00 C ATOM 1370 NZ LYS A 97 17.056 12.214 -9.332 1.00 0.00 N ATOM 0 H LYS A 97 11.031 11.454 -7.886 1.00 0.00 H new ATOM 0 HA LYS A 97 12.878 11.278 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.710 12.648 -8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.882 13.245 -7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.142 11.282 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.787 10.289 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.207 10.478 -9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.824 11.505 -9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.508 12.974 -10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.349 13.376 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.655 13.052 -9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.178 11.862 -8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.332 11.472 -10.007 1.00 0.00 H new ATOM 1384 N ALA A 98 12.686 13.411 -4.428 1.00 0.00 N ATOM 1385 CA ALA A 98 12.436 14.560 -3.567 1.00 0.00 C ATOM 1386 C ALA A 98 13.168 15.797 -4.075 1.00 0.00 C ATOM 1387 O ALA A 98 14.271 15.716 -4.617 1.00 0.00 O ATOM 1388 CB ALA A 98 12.852 14.248 -2.137 1.00 0.00 C ATOM 0 H ALA A 98 13.416 12.783 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 98 11.367 14.770 -3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.660 15.115 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.280 13.396 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.915 14.009 -2.111 1.00 0.00 H new